8-[3-(aminomethyl)oxolan-3-yl]-1,4-dioxaspiro[4.5]decan-8-ol

C13H23NO4 — CID 79124643

IUPAC8-[3-(aminomethyl)oxolan-3-yl]-1,4-dioxaspiro[4.5]decan-8-ol
SMILESNCC1(C2(O)CCC3(CC2)OCCO3)CCOC1
InChIInChI=1S/C13H23NO4/c14-9-11(5-6-16-10-11)12(15)1-3-13(4-2-12)17-7-8-18-13/h15H,1-10,14H2
InChIKeyFBSBFZSICBUGNQ-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.40
Rot. Bonds2

About 8-[3-(aminomethyl)oxolan-3-yl]-1,4-dioxaspiro[4.5]decan-8-ol

8-[3-(aminomethyl)oxolan-3-yl]-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 79124643) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 8-[3-(aminomethyl)oxolan-3-yl]-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name8-[3-(aminomethyl)oxolan-3-yl]-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID79124643
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name8-[3-(aminomethyl)oxolan-3-yl]-1,4-dioxaspiro[4.5]decan-8-ol
SMILESNCC1(C2(O)CCC3(CC2)OCCO3)CCOC1
InChIInChI=1S/C13H23NO4/c14-9-11(5-6-16-10-11)12(15)1-3-13(4-2-12)17-7-8-18-13/h15H,1-10,14H2
InChIKeyFBSBFZSICBUGNQ-UHFFFAOYSA-N
XLogP0.40
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-[1-(aminomethyl)cyclobutyl]-1,4-dioxaspiro[4.5]decan-8-ol
CID 79125807
4-[4-(aminomethyl)oxan-4-yl]oxan-4-ol
CID 79136047
1-[3-(aminomethyl)oxan-3-yl]cyclopentan-1-ol
CID 103715907
3-[4-(aminomethyl)oxan-4-yl]oxolan-3-ol
CID 79135319
8-[1-(aminomethyl)-4-ethylcyclohexyl]-1,4-dioxaspiro[4.5]decan-8-ol
CID 79123696
4-[3-(aminomethyl)oxolan-3-yl]-1-methylazepan-4-ol
CID 79126100
3-[4-(aminomethyl)oxan-4-yl]oxan-3-ol
CID 79125192
1-[3-(aminomethyl)oxolan-3-yl]-2,2-dimethylcyclohexan-1-ol
CID 79852618
1-[3-(aminomethyl)oxolan-3-yl]-3,3,5-trimethylcyclohexan-1-ol
CID 79128824
4-[3-(aminomethyl)oxan-3-yl]-1-ethylpiperidin-4-ol
CID 103715931
4-[1-(aminomethyl)cyclohexyl]oxan-4-ol
CID 79135136
1-[4-(aminomethyl)oxan-4-yl]-3,5-dimethylcyclohexan-1-ol
CID 79124414

Frequently Asked Questions

What is the IUPAC name of 8-[3-(aminomethyl)oxolan-3-yl]-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of 8-[3-(aminomethyl)oxolan-3-yl]-1,4-dioxaspiro[4.5]decan-8-ol (CID 79124643) is 8-[3-(aminomethyl)oxolan-3-yl]-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for 8-[3-(aminomethyl)oxolan-3-yl]-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for 8-[3-(aminomethyl)oxolan-3-yl]-1,4-dioxaspiro[4.5]decan-8-ol is NCC1(C2(O)CCC3(CC2)OCCO3)CCOC1.
What is the InChIKey of 8-[3-(aminomethyl)oxolan-3-yl]-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is FBSBFZSICBUGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c14-9-11(5-6-16-10-11)12(15)1-3-13(4-2-12)17-7-8-18-13/h15H,1-10,14H2.
What are the key properties of 8-[3-(aminomethyl)oxolan-3-yl]-1,4-dioxaspiro[4.5]decan-8-ol?
8-[3-(aminomethyl)oxolan-3-yl]-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 257.33 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(aminomethyl)oxolan-3-yl]-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 79124643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).